Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17784212 | 0.92 | PDE4B (0.48) | PDE4BPTGS2NR1H3AKT1AKT2 | |
| SCHEMBL19119122 | 0.90 | PDE4B (0.51) | PDE4BAKT1AKT2ALDH1A1TP53 | |
| SCHEMBL19118428 | 0.89 | PDE4B (0.55) | PDE4BALDH1A1TP53 | |
| SCHEMBL17784221 | 0.88 | PDE4B (0.57) | PDE4BAKT1AKT2 | |
| SCHEMBL19119085 | 0.85 | PDE4B (0.57) | PDE4BAKT1AKT2ALDH1A1TP53 | |
| SCHEMBL17784227 | 0.84 | PDE4B (0.54) | PDE4BAKT1AKT2HDAC1 | |
| SCHEMBL17784213 | 0.84 | PDE4B (0.57) | PDE4BPDE4AKCNH2 | |
| SCHEMBL19119081 | 0.83 | PDE4B (0.54) | PDE4BTP53 | |
| SCHEMBL19118056 | 0.83 | PDE4B (0.60) | PDE4B | |
| SCHEMBL19118430 | 0.83 | PDE4B (0.47) | PDE4BHDAC1ALDH1A1TP53 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3030565-B1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2017-07-19 | — | — | EP | disclosed |